CsSn
CsSn is a thermodynamically stable semiconducting intermetallic compound composed of cesium and tin.
About CsSn
CsSn is a semiconducting intermetallic compound that occupies a position of thermodynamic stability on the convex hull. Its structural integrity is underscored by a significant body of reported experimental and computational structures, making it a notable subject for materials research.
As a binary compound of cesium and tin, it represents a specific stoichiometry that is of interest for understanding the electronic interactions between alkali metals and post-transition metals. Its stable nature provides a reliable baseline for investigating the electronic behavior of this specific material system.
Key Properties
Cross-validated computational properties for CsSn, aggregated across 5 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CsSn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CsSn, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-43n (No. 218) | cubic | 1.14 | 0.0000 | -25.335 | 4.22 |
| — | — | 0.81 | 0.0000 | -0.364 | — |
| I41/acd (No. 142) | tetragonal | 0.75 | 0.0013 | -25.334 | 4.42 |
| — | — | 0.00 | 0.5171 | 0.153 | — |
| — | — | 0.00 | 0.5351 | 0.171 | — |
| — | — | 0.00 | 0.5568 | 0.193 | — |
| — | — | 0.00 | 0.5754 | 0.211 | — |
| — | — | 0.00 | 0.9569 | 0.593 | — |
| — | — | 0.00 | 1.1938 | 0.830 | — |
| P1 (No. 1) | triclinic | — | — | — | 2.05 |
| Cm (No. 8) | monoclinic | — | — | — | 2.63 |
| P1 (No. 1) | triclinic | — | — | — | 1.95 |
Frequently Asked Questions
Common questions about CsSn, answered from cross-validated data.
What is CsSn?
CsSn is a thermodynamically stable semiconducting intermetallic compound composed of cesium and tin.
What is the band gap of CsSn?
Is CsSn a metal, semiconductor, or insulator?
Is CsSn thermodynamically stable?
What is the crystal structure of CsSn?
What is the density of CsSn?
How many polymorphs of CsSn are known?
What elements does CsSn contain?
Where does the data for CsSn come from?
How It Compares
As a standalone entry in this specific compositional space, CsSn serves as a primary reference point for understanding the interplay between cesium and tin. Its position on the convex hull establishes it as a robust benchmark for future studies regarding the stability and semiconducting behavior of similar alkali-stannide phases.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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